Compound Identification
SMILES
CCO\N=C(/C(=O)CCl)C(=O)NC1[C@H]2SCC(COC)=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C
InChIKey
InChIKey=SGFARXHSGDQVET-CSEVZXTJSA-N
Formula
C21H28ClN3O9S
Mass
533.98
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Cephems
- Level 6 Cephalosporins
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Level 5
Cephems
-
Subclass
Beta lactams
-
Class
Lactams
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Lactams
Subclass
Beta lactams
Intermediate Tree Nodes
Cephems
Direct Parent
Cephalosporins
Alternative Parents
N-acyl-alpha amino acids and derivatives Acylals 1,3-thiazines Dicarboxylic acids and derivatives N-acyl amines Tertiary carboxylic acid amides Alpha-chloroketones Enoate esters Oxime ethers Secondary carboxylic acid amides Azetidines Thiohemiaminal derivatives Dialkylthioethers Dialkyl ethers Azacyclic compounds Acetals Hydrocarbon derivatives Alkyl chlorides Aldehydes Organopnictogen compounds Organic oxides Organochlorides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Acylal - Meta-thiazine - N-acyl-amine - Fatty acyl - Dicarboxylic acid or derivatives - Fatty amide - Alpha-haloketone - Alpha-chloroketone - Tertiary carboxylic acid amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Ketone - Carboxylic acid ester - Secondary carboxylic acid amide - Oxime ether - Carboxamide group - Azetidine - Acetal - Carboxylic acid derivative - Azacycle - Dialkyl ether - Dialkylthioether - Ether - Hemithioaminal - Thioether - Aldehyde - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Alkyl chloride - Alkyl halide - Organic oxygen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moiety or a derivative thereof.
External Descriptors
Not available